5OB7
X-ray structure of the adduct formed upon reaction of lysozyme with the compound fac-[RuII(CO)3Cl2(N3-IM), IM=imidazole (crystal 2)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-04-07 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 78.968, 78.968, 36.604 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 55.840 - 2.100 |
R-factor | 0.15738 |
Rwork | 0.153 |
R-free | 0.23440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 193l |
RMSD bond length | 0.016 |
RMSD bond angle | 1.649 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 55.840 | 2.140 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.057 | 0.296 |
Number of reflections | 6694 | |
<I/σ(I)> | 11.4 | 4.2 |
Completeness [%] | 93.3 | 93.3 |
Redundancy | 3.1 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 1.1 M NaCl, 0.1 M sodium acetate at pH 4.0-4.4 |